SCHEMBL9430765

SCHEMBL9430765

CCCCCCC(Sc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(CC)cc(CC)cc1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
PPARG P37231 6/20 0.41
PPARA Q07869 6/20 0.41
PPARD Q03181 1/20 0.41
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 2/20 0.35
PTGES O14684 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8856163 0.84 MMP9 (0.43) MMP9MMP13ADAM17PPARGPPARA
SCHEMBL8856229 0.81 KDM4E (0.51) MMP9MMP13ADAM17MAPT
SCHEMBL8856207 0.81 KDM4E (0.51) MMP9MMP13ADAM17MAPT
SCHEMBL8856210 0.76 MMP9 (0.42) MMP9MMP13ADAM17PPARGPPARA
SCHEMBL8325823 0.74 ALOX5 (0.47) MMP9MMP13ADAM17PPARGPPARA
SCHEMBL9840116 0.74 LMNA (0.46) MMP9MMP13ADAM17PPARGPPARA
SCHEMBL8856098 0.73 KDM4E (0.49) MMP9MMP13ADAM17MAPT
SCHEMBL8856362 0.72 MMP9 (0.44) MMP9MMP13ADAM17PPARGPPARA
SCHEMBL8856332 0.72 MMP9 (0.44) MMP9MMP13ADAM17PPARGPPARA
SCHEMBL6933064 0.70 MMP9 (0.64) MMP9MMP13ADAM17PPARGPPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5362878-A Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1994-11-08 US disclosed